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Calcium Bis[4-({1-[(2-methylphenyl)carbamoyl]-2-oxopropyl}diazenyl)-3-nitrobenzenesulfonate]

UUID e968cc29-f590-436d-b188-689819f902b0
Deprecated yes
Replaced By 35ad5dda-f570-42f3-944a-fe53191ba26d
Flow Object IDfo-73281341361c79c6
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 12286-66-7
EC Numbers 235-558-6
prefLabel
Language Value Provenance
en Calcium Bis[4-({1-[(2-methylphenyl)carbamoyl]-2-oxopropyl}diazenyl)-3-nitrobenzenesulfonate]
altLabel ⓘ
Language Value Provenance
en Benzenesulfonic acid, 4-[2-[1-[[(2-methylphenyl)amino]carbonyl]-2-oxopropyl]diazenyl]-3-nitro-, calcium salt (2:1)
en Benzenesulfonic acid, 4-[[1-[[(2-methylphenyl)amino]carbonyl]-2-oxopropyl]azo]-3-nitro-, calcium salt (2:1)
en C.I. 13940
en C.I. Pigment Yellow 62
en Graphtol Yellow RL
en Irgafiner Yellow E 2
en Irgalite Yellow WSR
en Irgaplast Yellow R
en Irgaplast Yellow RS
en PY 62
en Paliotol Yellow K 1420
en Pigment Yellow 62
en Yellow K 1420
References
Shared Properties
Predicate Value
InChIKey HHIWXOJCMNFRBW-UHFFFAOYSA-L, JAHRTQLUBJTOSN-UHFFFAOYSA-L, KIBGTJYEEPKGMO-UHFFFAOYSA-N, NTVNMGCPKMOSEF-UHFFFAOYSA-N, PAPAOCJMDAFEQR-UHFFFAOYSA-N, VWDVUHHOWAILLC-UHFFFAOYSA-L
InChI InChI=1S/2C16H14N4O7S.Ca/c2*1-10(21)15(16(22)17-11-5-3-2-4-6-11)19-18-13-8-7-12(28(25,26)27)9-14(13)20(23)24;/h2*2-9,15H,1H3,(H,17,22)(H,25,26,27);, InChI=1S/2C16H14N4O7S.Ca/c2*1-10(21)15(16(22)17-11-5-3-2-4-6-11)19-18-13-8-7-12(28(25,26)27)9-14(13)20(23)24;/h2*2-9,15H,1H3,(H,17,22)(H,25,26,27);/q;;+2/p-2, InChI=1S/2C17H16N4O7S.Ca/c2*1-10-5-3-4-6-13(10)18-17(23)16(11(2)22)20-19-14-8-7-12(29(26,27)28)9-15(14)21(24)25;/h2*3-9,16H,1-2H3,(H,18,23)(H,26,27,28);, InChI=1S/2C17H16N4O7S.Ca/c2*1-10-5-3-4-6-13(10)18-17(23)16(11(2)22)20-19-14-8-7-12(29(26,27)28)9-15(14)21(24)25;/h2*3-9,16H,1-2H3,(H,18,23)(H,26,27,28);/q;;+2/p-2, InChI=1S/2C17H16N4O7S.Ca/c2*1-11-4-2-3-5-14(11)19-17(23)8-12(22)10-18-20-15-7-6-13(29(26,27)28)9-16(15)21(24)25;/h2*2-7,9H,8,10H2,1H3,(H,19,23)(H,26,27,28);/q;;+2/p-2, InChI=1S/C17H16N4O7S.Ca/c1-10-5-3-4-6-13(10)18-17(23)16(11(2)22)20-19-14-8-7-12(29(26,27)28)9-15(14)21(24)25;/h3-9,16H,1-2H3,(H,18,23)(H,26,27,28);
IUPAC name calcium bis(3-nitro-4-[1-(o-tolylcarbamoyl)-2-oxo-propyl]azo-benzenesulfonate), calcium bis(3-nitro-4-[2-oxo-1-(phenylcarbamoyl)propyl]azo-benzenesulfonate), calcium bis(4-(1-anilino-1,3-dioxobutan-2-yl)azo-3-nitrobenzenesulfonate), calcium bis(4-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]-3-nitrobenzenesulfonate), calcium bis(4-[1-(2-methylanilino)-1,3-dioxobutan-2-yl]azo-3-nitrobenzenesulfonate), calcium bis(4-[2,4-diketo-4-(o-toluidino)butyl]azo-3-nitro-besylate), calcium bis(4-[2-keto-1-(o-tolylcarbamoyl)propyl]azo-3-nitro-besylate), calcium bis(4-[2-keto-1-(phenylcarbamoyl)propyl]azo-3-nitro-besylate), calcium bis(4-[4-(2-methylanilino)-2,4-dioxo-butyl]azo-3-nitro-benzenesulfonate), calcium bis(4-[4-(2-methylanilino)-2,4-dioxobutyl]azo-3-nitrobenzenesulfonate), calcium bis(4-[[1,3-bis(oxidanylidene)-1-phenylazanyl-butan-2-yl]diazenyl]-3-nitro-benzenesulfonate), calcium bis(4-[[1-(2-methylanilino)-1,3-dioxobutan-2-yl]diazenyl]-3-nitrobenzenesulfonate), calcium bis(4-[[1-[(2-methylphenyl)amino]-1,3-bis(oxidanylidene)butan-2-yl]diazenyl]-3-nitro-benzenesulfonate), calcium bis(4-[[4-(2-methylanilino)-2,4-dioxobutyl]diazenyl]-3-nitrobenzenesulfonate), calcium bis(4-[[4-[(2-methylphenyl)amino]-2,4-bis(oxidanylidene)butyl]diazenyl]-3-nitro-benzenesulfonate)
Molecular formula C17H16CaN4O7S, C32H26CaN8O14S2, C32H28CaN8O14S2, C34H30CaN8O14S2, C34H32CaN8O14S2
SMILES CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-].CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-].[Ca], CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=C(C=C(C=C2)S(=O)(=O)[O-])[N+](=O)[O-].CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=C(C=C(C=C2)S(=O)(=O)[O-])[N+](=O)[O-].[Ca+2], CC1=CC=CC=C1NC(=O)C(C(=O)C)N=NC2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-].CC1=CC=CC=C1NC(=O)C(C(=O)C)N=NC2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-].[Ca], CC1=CC=CC=C1NC(=O)C(C(=O)C)N=NC2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-].[Ca], CC1=CC=CC=C1NC(=O)C(C(=O)C)N=NC2=C(C=C(C=C2)S(=O)(=O)[O-])[N+](=O)[O-].CC1=CC=CC=C1NC(=O)C(C(=O)C)N=NC2=C(C=C(C=C2)S(=O)(=O)[O-])[N+](=O)[O-].[Ca+2], CC1=CC=CC=C1NC(=O)CC(=O)CN=NC2=C(C=C(C=C2)S(=O)(=O)[O-])[N+](=O)[O-].CC1=CC=CC=C1NC(=O)CC(=O)CN=NC2=C(C=C(C=C2)S(=O)(=O)[O-])[N+](=O)[O-].[Ca+2]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 e968cc29-f590-436d-b188-689819f902b0 calcium bis[4-({1-[(2-methylphenyl)carbamoyl]-2-oxopropyl}diazenyl)-3-nitrobenzenesulfonate]

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=calciumbis[4-({1-[(2-methylphenyl)carbamoyl]-2-oxopropyl}diazenyl)-3-nitrobenzenesulfonate]||dimension=Environmental > media=Air > indoor=Unknown; cas=12286-66-7; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, 4-[2-[1-[[(2-methylphenyl)amino]carbonyl]-2-oxopropyl]diazenyl]-3-nitro-, calcium salt (2:1), Benzenesulfonic acid, 4-[[1-[[(2-methylphenyl)amino]carbonyl]-2-oxopropyl]azo]-3-nitro-, calcium salt (2:1), C.I. 13940, C.I. Pigment Yellow 62, Graphtol Yellow RL, Irgafiner Yellow E 2, Irgalite Yellow WSR, Irgaplast Yellow R, Irgaplast Yellow RS, PY 62, Paliotol Yellow K 1420, Pigment Yellow 62, Yellow K 1420; object_uuid=fo-73281341361c79c6
cas_match_labels 1 — consensus_match group_key=calciumbis[4-({1-[(2-methylphenyl)carbamoyl]-2-oxopropyl}diazenyl)-3-nitrobenzenesulfonate]||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'12286-66-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-73281341361c79c6: {'12286-66-7': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Benzenesulfonic acid, 4-[2-[1-[[(2-methylphenyl)amino]carbonyl]-2-oxopropyl]diazenyl]-3-nitro-, calcium salt (2:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12286-66-7', 'https://commonchemistry.cas.org/detail?cas_rn=12286-66-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenesulfonic acid, 4-[[1-[[(2-methylphenyl)amino]carbonyl]-2-oxopropyl]azo]-3-nitro-, calcium salt (2:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12286-66-7', 'https://commonchemistry.cas.org/detail?cas_rn=12286-66-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'C.I. 13940', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12286-66-7', 'https://commonchemistry.cas.org/detail?cas_rn=12286-66-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'C.I. Pigment Yellow 62', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12286-66-7', 'https://commonchemistry.cas.org/detail?cas_rn=12286-66-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Graphtol Yellow RL', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12286-66-7', 'https://commonchemistry.cas.org/detail?cas_rn=12286-66-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Irgafiner Yellow E 2', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12286-66-7', 'https://commonchemistry.cas.org/detail?cas_rn=12286-66-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Irgalite Yellow WSR', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12286-66-7', 'https://commonchemistry.cas.org/detail?cas_rn=12286-66-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Irgaplast Yellow R', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12286-66-7', 'https://commonchemistry.cas.org/detail?cas_rn=12286-66-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Irgaplast Yellow RS', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12286-66-7', 'https://commonchemistry.cas.org/detail?cas_rn=12286-66-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'PY 62', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12286-66-7', 'https://commonchemistry.cas.org/detail?cas_rn=12286-66-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Paliotol Yellow K 1420', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12286-66-7', 'https://commonchemistry.cas.org/detail?cas_rn=12286-66-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pigment Yellow 62', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12286-66-7', 'https://commonchemistry.cas.org/detail?cas_rn=12286-66-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Yellow K 1420', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12286-66-7', 'https://commonchemistry.cas.org/detail?cas_rn=12286-66-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=calciumbis[4-({1-[(2-methylphenyl)carbamoyl]-2-oxopropyl}diazenyl)-3-nitrobenzenesulfonate]||dimension=Environmental > media=Air > indoor=Unknown; cas=12286-66-7; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, 4-[2-[1-[[(2-methylphenyl)amino]carbonyl]-2-oxopropyl]diazenyl]-3-nitro-, calcium salt (2:1), Benzenesulfonic acid, 4-[[1-[[(2-methylphenyl)amino]carbonyl]-2-oxopropyl]azo]-3-nitro-, calcium salt (2:1), C.I. 13940, C.I. Pigment Yellow 62, Graphtol Yellow RL, Irgafiner Yellow E 2, Irgalite Yellow WSR, Irgaplast Yellow R, Irgaplast Yellow RS, PY 62, Paliotol Yellow K 1420, Pigment Yellow 62, Yellow K 1420; object_uuid=fo-73281341361c79c6
cas_match_labels None {'12286-66-7': 'exactMatch'} group_key=calciumbis[4-({1-[(2-methylphenyl)carbamoyl]-2-oxopropyl}diazenyl)-3-nitrobenzenesulfonate]||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'12286-66-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-73281341361c79c6: {'12286-66-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "name": null,
  "cas_numbers": [
    "12286-66-7"
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  "ec_numbers": [
    "235-558-6"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "e968cc29-f590-436d-b188-689819f902b0",
  "input_datasets": [
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  ],
  "source_refs": [
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      "list_version": "3.1",
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      "source_flow_name": "calcium bis[4-({1-[(2-methylphenyl)carbamoyl]-2-oxopropyl}diazenyl)-3-nitrobenzenesulfonate]",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
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          "Emissions to water",
          "Emissions to water, unspecified (long-term)"
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    }
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        "CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=C(C=C(C=C2)S(=O)(=O)[O-])[N+](=O)[O-].CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=C(C=C(C=C2)S(=O)(=O)[O-])[N+](=O)[O-].[Ca+2]",
        "CC1=CC=CC=C1NC(=O)C(C(=O)C)N=NC2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-].CC1=CC=CC=C1NC(=O)C(C(=O)C)N=NC2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-].[Ca]",
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      "@value": [
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        "InChI=1S/2C16H14N4O7S.Ca/c2*1-10(21)15(16(22)17-11-5-3-2-4-6-11)19-18-13-8-7-12(28(25,26)27)9-14(13)20(23)24;/h2*2-9,15H,1H3,(H,17,22)(H,25,26,27);/q;;+2/p-2",
        "InChI=1S/2C17H16N4O7S.Ca/c2*1-10-5-3-4-6-13(10)18-17(23)16(11(2)22)20-19-14-8-7-12(29(26,27)28)9-15(14)21(24)25;/h2*3-9,16H,1-2H3,(H,18,23)(H,26,27,28);",
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